(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one

C19H16ClN3O — CID 865092

IUPAC(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cc(C)c2nc(Cl)c([C@@H]3NC(=O)c4ccccc4N3)cc2c1
InChIInChI=1S/C19H16ClN3O/c1-10-7-11(2)16-12(8-10)9-14(17(20)22-16)18-21-15-6-4-3-5-13(15)19(24)23-18/h3-9,18,21H,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyVWTJRPLEQWARJI-SFHVURJKSA-N
MW337.81 g/mol
LogP4.36
Rot. Bonds1

About (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 865092) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID865092
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cc(C)c2nc(Cl)c([C@@H]3NC(=O)c4ccccc4N3)cc2c1
InChIInChI=1S/C19H16ClN3O/c1-10-7-11(2)16-12(8-10)9-14(17(20)22-16)18-21-15-6-4-3-5-13(15)19(24)23-18/h3-9,18,21H,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyVWTJRPLEQWARJI-SFHVURJKSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one with MolForge

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Related Compounds

(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605
(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41143825
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
5-chloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 164880782
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
(2S)-2-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 41155134
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
CID 72724048
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 34364364
(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41236172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 865092) is (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one is Cc1cc(C)c2nc(Cl)c([C@@H]3NC(=O)c4ccccc4N3)cc2c1.
What is the InChIKey of (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is VWTJRPLEQWARJI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-10-7-11(2)16-12(8-10)9-14(17(20)22-16)18-21-15-6-4-3-5-13(15)19(24)23-18/h3-9,18,21H,1-2H3,(H,23,24)/t18-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 337.81 g/mol, XLogP of 4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 865092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).